N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide

C25H28Cl2N4O — CID 69112869

IUPACN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CC3CCCC3C2)=NN(c2ccccc2Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C25H28Cl2N4O/c1-2-20-23(25(32)29-30-14-17-6-5-7-18(17)15-30)28-31(22-9-4-3-8-21(22)27)24(20)16-10-12-19(26)13-11-16/h3-4,8-13,17-18,20,24H,2,5-7,14-15H2,1H3,(H,29,32)
InChIKeyBOFWABAYLFLXDR-UHFFFAOYSA-N
MW471.43 g/mol
LogP5.70
Rot. Bonds5

About N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 69112869) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID69112869
Molecular FormulaC25H28Cl2N4O
Molecular Weight471.43 g/mol
Exact Mass470.16
IUPAC NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CC3CCCC3C2)=NN(c2ccccc2Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C25H28Cl2N4O/c1-2-20-23(25(32)29-30-14-17-6-5-7-18(17)15-30)28-31(22-9-4-3-8-21(22)27)24(20)16-10-12-19(26)13-11-16/h3-4,8-13,17-18,20,24H,2,5-7,14-15H2,1H3,(H,29,32)
InChIKeyBOFWABAYLFLXDR-UHFFFAOYSA-N
XLogP5.70
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rosonabant
CID 11316914
Carboxamide derivative 1
CID 6918856
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 11213501
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 11993772
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 23730118
N-(azepan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 23730119
(5R)-5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-4,5-dihydro-1H-pyrazole-3-carboxamide
CID 11993760
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
CID 15986643
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-(fluoromethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 15986735
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 15986811
2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 15986812
(3R,4R)-2-(2,4-dichlorophenyl)-N-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 16041528

Frequently Asked Questions

What is the IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide (CID 69112869) is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide is CCC1C(C(=O)NN2CC3CCCC3C2)=NN(c2ccccc2Cl)C1c1ccc(Cl)cc1.
What is the InChIKey of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is BOFWABAYLFLXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O/c1-2-20-23(25(32)29-30-14-17-6-5-7-18(17)15-30)28-31(22-9-4-3-8-21(22)27)24(20)16-10-12-19(26)13-11-16/h3-4,8-13,17-18,20,24H,2,5-7,14-15H2,1H3,(H,29,32).
What are the key properties of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide?
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 471.43 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 69112869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).